Zhang Bing-Yu, Nie Jing-Jing, Xu Duan-Jun
Department of Chemistry, Zhejiang University, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 19;64(Pt 7):m937. doi: 10.1107/S1600536808018126.
In the crystal structure of the title compound, [Cd(C(7)H(5)O(4))(2)(C(12)H(8)N(2))(2)]·1.25H(2)O, the Cd(2+) cation is coordinated by two phenanthroline (phen) mol-ecules and two 2,5-dihydroxy-benzoate (dhba) anions in a distorted octa-hedral geometry. The centroid-centroid distances of 3.809 (2) and 3.680 (2) Å between nearly parallel pyridine rings of the phen ligands and the benzene rings of dhba anions indicate that the dhba anions are involved in π-π stacking in the crystal structure. The face-to-face separation of 3.35 (3) Å between parallel phen ring systems also suggests π-π stacking between adjacent complex mol-ecules. The crystal structure contains extensive O-H⋯O and C-H⋯O hydrogen bonding.
在标题化合物[Cd(C₇H₅O₄)₂(C₁₂H₈N₂)₂]·1.25H₂O的晶体结构中，Cd²⁺阳离子由两个菲咯啉（phen）分子和两个2,5 - 二羟基苯甲酸根（dhba）阴离子以扭曲的八面体几何构型配位。phen配体的近平行吡啶环与dhba阴离子的苯环之间的质心 - 质心距离分别为3.809(2) Å和3.680(2) Å，这表明dhba阴离子参与了晶体结构中的π - π堆积。平行的phen环系之间面对面的间距为3.35(3) Å，这也表明相邻配合物分子之间存在π - π堆积。晶体结构包含广泛的O - H⋯O和C - H⋯O氢键。
